Results 161 to 170 of about 748,632 (287)

Hydrogen Radical Detection in Mild Catalytic Reactions: Background C‐H Activation in Solvents

ChemCatChem, Accepted Article.
Platinum group metal (PGM) nanoparticle catalysts are commonly used in a wide variety of liquid‐phase hydrogenation reactions. Carbon‐supported palladium nanoparticles are used extensively in many industrially applied hydrogenation reactions across the pharmaceutical industry and increasingly in the hydrogenolysis of bio‐derived molecules.
Hannah Rogers, Timothy J Woodman, David Willock, Andrea Folli, Simon Freakley   +4 more
wiley   +1 more source

Explicit Canonical Methods for Hamiltonian Systems [PDF]

, 1992
Daniel Okunbor, Robert D. Skeel
openalex   +1 more source

The Interplay of Single Ion Anisotropy and Magnetic 3 d‐4 f Interactions in VIII2LnIII2 Butterfly Complexes

ChemistryEurope, EarlyView.
The 3d–4f coupling constants and relative angles between distinct anisotropy axes in butterfly‐shaped VIII2LnIII2 (Ln=Y, Tb−Yb) metal‐organic molecular complexes are determined using combined high‐field EPR spectroscopy and magnetisation studies. The observed chemical trend sheds light on the electronic exchange mechanism and highlights the important ...
Jan Arneth, Xian‐Feng Li, Jonas Braun, Sagar Paul, Michael Schulze, Christopher E. Anson, Wolfgang Wernsdorfer, Annie K. Powell, Rüdiger Klingeler   +8 more
wiley   +1 more source

The Fluoride Ion Affinity Revisited: Do We Need the Anchor‐Point Approach?

Chemistry – A European Journal, EarlyView.
A state‐of‐the‐art benchmark of fluoride‐ion affinities has been generated. Its application shows that widely used computational anchor‐point methods based on isodesmic reactions rely on non‐systematic error cancellations and are advantageous only when inappropriate density functionals and/or basis sets without diffuse functions are used.
Morten Lehmann, Salimot Natalie Balogun, Marc Reimann, Martin Kaupp   +3 more
wiley   +1 more source

Shadow hamiltonian simulation. [PDF]

Nat Commun
Somma RD, King R, Kothari R, O'Brien TE, Babbush R.   +4 more
europepmc   +1 more source

Squeezing noises as weak coupling limit of Hamiltonian system [PDF]

, 1991
Luigi Accardi, Yun Gang Lu
openalex   +1 more source

Molecular Recognition and Chiral Discrimination from NMR and Multi‐Scale Simulations

Chemistry – A European Journal, EarlyView.
This study explores the enantioselective discrimination of mandelic acid enantiomers using (R)‐BINOL and (S)‐BINOL through a combination of nuclear magnetic resonance experiments, molecular dynamics simulations, and quantum mechanical calculations. The findings provide a detailed understanding of the diffusion properties and binding interactions that ...
Tadeu Luiz Gomes Cabral, João Pedro Brussolo da Silva, Claudio Francisco Tormena, Matthias Stein   +3 more
wiley   +1 more source

Analysis of the escape in systems with four exit channels

Mathematical Methods in the Applied Sciences, Volume 46, Issue 1, Page 1032-1044, 15 January 2023., 2023
In this paper, we have performed a numerical investigation of the escape of a particle from two different dynamical systems with the same number of exit channels. We have chosen specific values of the parameters of the systems so that the openings of the potential well in both systems are approximately of the same size.
Juan F. Navarro, Ibrahim Belgharbi, María del Carmen Martínez‐Belda   +2 more
wiley   +1 more source

Topological transition on a conformal manifold for the quantum Ising model with a longer range interaction. [PDF]

Sci Rep
Sarkar S.
europepmc   +1 more source

Certain quadratic first integral and elliptic orbits of linear Hamiltonian system [PDF]

, 1990
Shigeru Maeda
openalex   +1 more source